ethyl 6-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NN=C(N3C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NN=C(N3C4CCCCC4)C

InChI

InChI=1S/C21H27N5O4S/c1-3-29-19(27)17-15(22-20(28)23-18(17)16-10-7-11-30-16)12-31-21-25-24-13(2)26(21)14-8-5-4-6-9-14/h7,10-11,14,18H,3-6,8-9,12H2,1-2H3,(H2,22,23,28)